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Light-Induced Reaction of Benzene with Carbonates
Authors:Ming-song Jia  Chun-hua Dong  Hua-ye Zhangd  Xin-zheng Yang
Abstract:We found an ultraviolet (UV)-light induced formation of biphenyl and sodium benzoate from benzene and sodium carbonate. The reaction happens in the interface of benzene and aqueous solution at the room temperature. After 5 h of UV-light exposure, 11.4% of initial amount of 4.4 g (5.0 mL) benzene are converted to biphenyl and sodium benzoate, which are distributed in benzene and aqueous solution, respectively. Using density function theory (DFT) and time dependent DFT, we have investigated the mechanism of this light-induced reaction, and found that the sodium carbonate is not only a reactant for the formation of sodium benzoate, but also a catalyst for the formation of biphenyl.
Keywords:Benzene  Carbonates  Light-induced reaction  Density function theory calcu-lation  Mechanism
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